2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol

C16H13FN2O2 — CID 89465998

IUPAC2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol
SMILESOC(Cc1cc(-c2ccc(F)cc2)no1)c1ccncc1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-11(2-4-13)15-9-14(21-19-15)10-16(20)12-5-7-18-8-6-12/h1-9,16,20H,10H2
InChIKeyNAGPXWNOTROWJL-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.15
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol

2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol (PubChem CID 89465998) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol
PubChem CID89465998
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol
SMILESOC(Cc1cc(-c2ccc(F)cc2)no1)c1ccncc1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-11(2-4-13)15-9-14(21-19-15)10-16(20)12-5-7-18-8-6-12/h1-9,16,20H,10H2
InChIKeyNAGPXWNOTROWJL-UHFFFAOYSA-N
XLogP3.15
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol (CID 89465998) is 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol is OC(Cc1cc(-c2ccc(F)cc2)no1)c1ccncc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
The InChIKey is NAGPXWNOTROWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-3-1-11(2-4-13)15-9-14(21-19-15)10-16(20)12-5-7-18-8-6-12/h1-9,16,20H,10H2.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol?
2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol has a molecular weight of 284.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 89465998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).